| Compound ID | MIC-UNK-50cce87d-3 |
| ΔG / kcal M-1 | −8.19 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 6.479680412001171 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN340 | ADA-UCB-6c2cb422-1_1 |
|
MIC-UNK-50cce87d-3_1 |
|
−0.08 ± 0.10 |
|
|
||||